2-bromo-6-({[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]amino}methyl)-4-nitrophenol
Chemical Structure Depiction of
2-bromo-6-({[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]amino}methyl)-4-nitrophenol
2-bromo-6-({[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]amino}methyl)-4-nitrophenol
Compound characteristics
| Compound ID: | K630-0089 |
| Compound Name: | 2-bromo-6-({[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]amino}methyl)-4-nitrophenol |
| Molecular Weight: | 484.3 |
| Molecular Formula: | C22 H18 Br N3 O5 |
| Smiles: | CCOc1ccc(cc1)c1nc2cc(ccc2o1)NCc1cc(cc(c1O)[Br])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.7157 |
| logD: | 4.681 |
| logSw: | -5.3455 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.268 |
| InChI Key: | ZQPTXWYQUGUAOA-UHFFFAOYSA-N |